Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:00:36 UTC
Update Date2025-03-21 22:03:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00486539
Frequency3.5
Structure
Chemical FormulaC6H14NO+
Molecular Mass116.107
SMILESC=C[N+](C)(C)CCO
InChI KeyHFPQPIXNUBINSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent quaternary ammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • alcohols and polyols
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound
  • alkanolamine